Basic information
- CAS
172701-69-8- Standard SMILES
COc1c(-c2nnc(CCl)o2)nn(-c2cccc(Cl)c2)c1N=Nc1ccc([N+](=O)[O-])cc1- InChIKey
GFNIMJBHZLTNCT-UHFFFAOYSA-N- Molecular formula
- C19H13Cl2N7O4
- Average molar mass
- 474.3 g/mol
- Monoisotopic mass
- 473.0406073
Names & identifiers
- Preferred name
- [5-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]-(4-nitrophenyl)diazene
- IUPAC
- [3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-chlorophenyl)-4-methoxypyrazol-5-yl]-(4-nitrophenyl)diazene
- English name
- [5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methox y-pyrazol-3-yl]-(4-nitrophenyl)diazene
- Molecular formula
- C19H13Cl2N7O4
- Molecular weight
- 474.26
Names & synonyms
172701-69-81,3,4-Oxadiazole, 2-(chloromethyl)-5-(1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazol-3-yl)-[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]-(4-nitrophenyl)diazene[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methox y-pyrazol-3-yl]-(4-nitrophenyl)diazene
Database identifiers
- CAS
172701-69-8- PubChem CID
- 3075166
- Nikkaji
- J692.163I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- Boiling point
- 713.692 · 713.692±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.61 · 1.610±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.44 · -2.440±0.12(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…